methyl 3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(1,2-benzothiazol-3-yl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H17N3O4S3 MolecularWeight: 423.52958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C17H17N3O4S3/c1-24-17(21)15-14(6-11-25-15)27(22,23)20-9-7-19(8-10-20)16-12-4-2-3-5-13(12)26-18-16/h2-6,11H,7-10H2,1H3